OTs-C6-OBn is a PROTAC (PROteolysis TArgeting Chimera) linker of the alkyl chain category. OTs-C6-OBn may be utilized to prepare PROTAC SGK3 degrader-1.

Physicochemical Properties

Molecular Formula	C13H20O2.C7H8O3S
Molecular Weight	380.49832
Exact Mass	380.166
CAS #	126519-80-0
PubChem CID	15525438
Appearance	Colorless to light yellow liquid
LogP	5.078
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	25
Complexity	429
Defined Atom Stereocenter Count	0
SMILES	CC1C=CC(S(O)(=O)=O)=CC=1.C1(COCCCCCCO)C=CC=CC=1
InChi Key	VVUMHKDBEGSVMR-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H26O4S/c1-18-11-13-20(14-12-18)25(21,22)24-16-8-3-2-7-15-23-17-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3
Chemical Name	6-phenylmethoxyhexyl 4-methylbenzenesulfonate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
References	[1]. Design and Characterization of SGK3-PROTAC1, an Isoform Specific SGK3 Kinase PROTAC Degrader. ACS Chem Biol. 2019 Sep 20;14(9):2024-2034.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~275.88 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (6.90 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6281 mL	13.1406 mL	26.2812 mL
	5 mM	0.5256 mL	2.6281 mL	5.2562 mL
	10 mM	0.2628 mL	1.3141 mL	2.6281 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.